Name: Name:1-(4-fluorophenyl)-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG00IJ8Z
Rating: 90 (10 reviews)

1-(4-fluorophenyl)-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid

CAS No.:

956198-12-2

Catalog Number:

AG00IJ8Z

Molecular Formula:

C17H13FN2O3

Molecular Weight:

312.2951

Catalog Number:

AG00IJ8Z

Chemical Name:

1-(4-fluorophenyl)-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid

CAS Number:

956198-12-2

Molecular Formula:

C17H13FN2O3

Molecular Weight:

312.2951

MDL Number:

MFCD06358033

IUPAC Name:

1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C17H13FN2O3/c1-23-14-4-2-3-11(9-14)16-15(17(21)22)10-20(19-16)13-7-5-12(18)6-8-13/h2-10H,1H3,(H,21,22)

InChI Key:

PWDYHCRMKJBQHC-UHFFFAOYSA-N

SMILES:

COc1cccc(c1)c1nn(cc1C(=O)O)c1ccc(cc1)F

Complexity:

415

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.3g/mol

Monoisotopic Mass:

312.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2